CID 135609952

6-methoxy-7-hydroxyquinazolin-4-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13)
InChIKey
ZHLRYPLSYOYNQM-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.2
[M+Na]+ 215.042718 148.2
[M-H]- 191.046224 137.4
[M+NH4]+ 210.087323 154.3
[M+K]+ 231.016658 144.3
[M+H-H2O]+ 175.050760 130.4
[M+HCOO]- 237.051701 156.8
[M+CH3COO]- 251.067351 178.1
[M+Na-2H]- 213.028166 145.6
[M]+ 192.05295142 138.0
[M]- 192.05404858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe